3-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-methylphenyl)benzamide

C24H22N2O3 — CID 109057107

IUPAC3-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C24H22N2O3/c1-16-10-11-22(29-2)20(14-16)25-23(27)18-7-5-8-19(15-18)24(28)26-13-12-17-6-3-4-9-21(17)26/h3-11,14-15H,12-13H2,1-2H3,(H,25,27)
InChIKeyANTYUWJSWXGLSA-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.46
Rot. Bonds4

About 3-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-methylphenyl)benzamide

3-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-methylphenyl)benzamide (PubChem CID 109057107) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-methylphenyl)benzamide
PubChem CID109057107
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name3-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-methylphenyl)benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1cccc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C24H22N2O3/c1-16-10-11-22(29-2)20(14-16)25-23(27)18-7-5-8-19(15-18)24(28)26-13-12-17-6-3-4-9-21(17)26/h3-11,14-15H,12-13H2,1-2H3,(H,25,27)
InChIKeyANTYUWJSWXGLSA-UHFFFAOYSA-N
XLogP4.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-methylphenyl)benzamide?
The IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-methylphenyl)benzamide (CID 109057107) is 3-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-methylphenyl)benzamide.
What is the SMILES notation for 3-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-methylphenyl)benzamide?
The canonical SMILES for 3-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-methylphenyl)benzamide is COc1ccc(C)cc1NC(=O)c1cccc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-methylphenyl)benzamide?
The InChIKey is ANTYUWJSWXGLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16-10-11-22(29-2)20(14-16)25-23(27)18-7-5-8-19(15-18)24(28)26-13-12-17-6-3-4-9-21(17)26/h3-11,14-15H,12-13H2,1-2H3,(H,25,27).
What are the key properties of 3-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-methylphenyl)benzamide?
3-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-methylphenyl)benzamide has a molecular weight of 386.45 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindole-1-carbonyl)-N-(2-methoxy-5-methylphenyl)benzamide is sourced from PubChem (CID 109057107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).